3,6-bis[(3-methylphenyl)sulfonyl]-1-oxidanidyl-pyridazin-1-ium

Systemtic Name: 3,6-bis[(3-methylphenyl)sulfonyl]-1-oxidanidyl-pyridazin-1-ium Openeye Name: 3,6-bis(m-tolylsulfonyl)-1-oxido-pyridazin-1-ium CAS Name: 3,6-bis[(3-methylphenyl)sulfonyl]-1-oxidopyridazin-1-ium IUPAC Name: 3,6-bis[(3-methylphenyl)sulfonyl]-1-oxidopyridazin-1-ium Traditional Name: 3,6-bis(m-tolylsulfonyl)-1-oxido-pyridazin-1-ium Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C)[O-]

InChI

InChI=1S/C18H16N2O5S2/c1-13-5-3-7-15(11-13)26(22,23)17-9-10-18(20(21)19-17)27(24,25)16-8-4-6-14(2)12-16/h3-12H,1-2H3